タイトル | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. |
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ジャーナル・号・ページ | J. Am. Chem. Soc., Vol. 143, Page 3779-3793, Year 2021 |
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掲載日 | 2020年9月8日 (構造データの登録日) |
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著者 | Ortet, P.C. / Muellers, S.N. / Viarengo-Baker, L.A. / Streu, K. / Szymczyna, B.R. / Beeler, A.B. / Allen, K.N. / Whitty, A. |
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リンク | J. Am. Chem. Soc. / PubMed:33683866 |
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手法 | X線回折 |
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解像度 | 1.9 - 2.52 Å |
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構造データ | PDB-7k28: Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFL 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-7k29: Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEAL 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7k2a: Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEFA 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7k2b: Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFA 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-7k2c: Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEAA 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-7k2d: Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDEETGE-NH2 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-7k2e: Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GDEETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-7k2f: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAEETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.37 Å PDB-7k2g: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDEEAGE] 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-7k2h: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-7k2i: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.42 Å PDB-7k2j: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPEAGE] 手法: X-RAY DIFFRACTION / 解像度: 2.52 Å PDB-7k2k: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-DEETGE] 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-7k2l: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-NPETGE] 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-7k2m: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GEPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-7k2n: Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[BAL-DEETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-7k2o: Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GABA-DPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-7k2p: Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[AVA-DPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-7k2q: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[Ahx-DPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.37 Å PDB-7k2r: Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[LhA-DEETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7k2s: Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPETGE] 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å |
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化合物 | |
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由来 | ![](img/tx_human.gif) homo sapiens (ヒト)- synthetic construct (人工物)
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キーワード | PROTEIN BINDING (タンパク質) / Peptide inhibitor / Inhibitor complex (酵素阻害剤) / Loop-mimic / PROTEIN BINDING/Inhibitor / PROTEIN BINDING-Inhibitor complex / cyclic peptide (環状ペプチド) |
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